CID 386371

Piperazine, 1-(3,4-dichlorophenyl)-4-((2,5-dichlorophenyl)sulfonyl)-

Structural Information

Molecular Formula
C16H14Cl4N2O2S
SMILES
C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C16H14Cl4N2O2S/c17-11-1-3-14(19)16(9-11)25(23,24)22-7-5-21(6-8-22)12-2-4-13(18)15(20)10-12/h1-4,9-10H,5-8H2
InChIKey
VAQACFCOJXBJFH-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-4-(2,5-dichlorophenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.953 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.96028 199.4
[M+Na]+ 460.94222 215.2
[M+NH4]+ 455.98682 206.8
[M+K]+ 476.91616 203.9
[M-H]- 436.94572 202.8
[M+Na-2H]- 458.92767 206.1
[M]+ 437.95245 204.2
[M]- 437.95355 204.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.